BDBM50527889 CHEMBL4439544

SMILES: Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl

InChI Key: InChIKey=SUJXBDJLOIDKBO-LZAGWAHOSA-N

Data: 6 KI  1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50527889   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast cell membranes measured after 90 mins by mic...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta ...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from recombinant human D1 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta sci...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta sci...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2C receptor stably expressed in HEK293 cells co-expressing Gq assessed as inhibition of 5-HT-induced calcium mobiliza...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human Gi/o-coupled D3 receptor expressed in HEK293T cells assessed as inhibition of isoproterenol-induced cAMP accumulation prein...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair